• Bulletin of the Korean Chemical Society
• /
• 제28권10호
• /
• pp.1689-1696
• /
• 2007

Equilibrium molecular dynamics (EMD) simulations are used to evaluate the transport coefficients of argonkrypton mixtures at two liquid states (state A: 94.4 K and 1 atm; state B: 135 K and 39.5 atm) via modified Green-Kubo formulas. The composition dependency of the volume at state A obeys close to the linear model for ideal liquid mixture, while that at state B differs from the linear model probably due to the high pressure. The radial distribution functions for the Ar-Kr mixture (x = 2/3) show a mixing effect: the first peak of g11 is higher than that of g(r) for pure Ar and the first peak of g22 is lower than that of g(r) for pure Kr. An exponential model of engineering correlation for diffusion coefficient (D) and shear viscosity (η) is superior to the simple linear model for ideal liquid mixtures. All three components of thermal conductivity (λpm, λtm, and λti) at state A and hence the total thermal conductivity decrease with the increase of x. At state B, the change in λtm is dominant over those in λpm and λti, and hence the total thermal conductivity decrease with the increase of x.

• 한국신재생에너지학회:학술대회논문집
• /
• 한국신재생에너지학회 2008년도 춘계학술대회 논문집
• /
• pp.206-209
• /
• 2008

The modified supercritical water treatment method is adopted for hydrolysis of wood powder, Populus alba$\times$glandulosa. This modified method is containing 0.05% HCl or $HNO_3$ as acid catalyst. The supercritical water treatment(SCW) was performed for 1 min. with $350^{\circ}C$, $380^{\circ}C$, $400^{\circ}C$ and $425^{\circ}C$, respectively, under 230 $\pm$ 10 atm using continuous flow system. When acid was added to powder prepared for SCW treatment, the yields of monomeric sugars were significantly increased. The lignin remained after supercritical treatment was applied to gel permeation chromatography(GPC) for molecular weight distribution analysis. Compared to the lignin produced from SCW treatment without acid catalyst, the average molecular weight of lignin compounds treated with acid was clearly decreased. Particularly, Mn/Mw ratio is decreased. This result shows supercritical water treatment of wood powder can change the molecular weight of lignin to small size. However, it is necessary to be further studied for exactly characterizing the lignin produced from supercritical water treatment.

• Tribology and Lubricants
• /
• 제22권5호
• /
• pp.243-251
• /
• 2006

Molecular dynamics simulations of nanoimprint lithography NIL) are performed in order to investigate effects of process parameters, such as stamp shape, imprinting temperature and adhesive energy, on nanoimprint lithography process and pattern transfer. The simulation model consists of an amorphous $SiO_{2}$ stamp with line pattern, an amorphous poly-(methylmethacrylate) (PMMA) film and an Si substrate under periodic boundary condition in horizontal direction to represent a real NIL process imprinting long line patterns. The pattern transfer behavior and its related phenomena are investigated by analyzing polymer deformation characteristics, stress distribution and imprinting force. In addition, their dependency on the process parameters are also discussed by varying stamp pattern shapes, adhesive energy between stamp and polymer film, and imprinting temperature. Simulation results indicate that triangular pattern has advantages of low imprinting force, small elastic recovery after separation, and low pattern failure. Adhesive energy between surface is found to be critical to successful pattern transfer without pattern failure. Finally, high imprinting temperature above glass transition temperature reduces the imprinting force.

• Macromolecular Research
• /
• 제17권4호
• /
• pp.240-244
• /
• 2009

High molecular weight(MW), 3-arm star poly(methyl methacrylate)(PMMA) with a narrow MW distribution($M_n$=570,000 g/mol, PDI=1.36) was successfully synthesized by activators regenerated by electron transfer(ARGET) atom transfer radical polymerization(ATRP). The polymerization was carried out with a trifunctional initiator/$CuBr_2$/N,N,N',N",N"-pentamethyldiethy lenetriamine(PMDETA) initiator/catalyst system in the presence of a tin(II) 2-ethylhexanoate [$Sn(EH)_2$] reducing agent at $90^{\circ}C$. The concentration of the copper catalyst was as low as 30 ppm, and a high initiation efficiency of the initiating sites was obtained. The chain-end functionality of the high MW, 3-arm star PMMA was confirmed by a chain extension experiment with styrene via ARGET ATRP, using the same catalyst system.

• Macromolecular Research
• /
• 제15권6호
• /
• pp.565-574
• /
• 2007

In this study, five representative, commercially available polymers, Ultem 1000 polyetherimide, Kapton polyimide, phenolic resin, polyacrylonitrile and cellulose acetate, were used to prepare pyrolyzed polymer membranes coated on a porous {\alpha}-alumina$ tube via inert pyrolysis for gas separation. Pyrolysis conditions (i.e., final temperature and thermal dwell time) of each polymer were determined using a thermogravimetric method coupled with real-time mass spectroscopy. The surface area and pore size distribution of the pyrolyzed materials derived from the polymers were estimated from the nitrogen adsorption/desorption isotherms. Pyrolyzed membranes from polymer precursors exhibited type I sorption behavior except cellulose acetate (type IV). The gas permeation of the carbon/{\alpha}-alumina$ tubular membranes was characterized using four gases: helium, carbon dioxide, oxygen and nitrogen. The polyetherimide, polyimide, and phenolic resin pyrolyzed polymer membranes showed typical molecular sieving gas permeation behavior, while membranes from polyacrylonitrile and cellulose acetate exhibited intermediate behavior between Knudsen diffusion and molecular sieving. Pyrolyzed membranes with molecular sieving behavior (e.g., polyetherimide, polyimide, and phenolic resin) had a $CO_2/N_2$ selectivity of greater than 15; however, the membranes from polyacrylonitrile and cellulose acetate with intermediate gas transport behavior had a selectivity slightly greater than unity due to their large pore size.

• 천문학논총
• /
• 제16권1호
• /
• pp.15-20
• /
• 2001

We observed the thermal transitions of SiO (J=I-0, 2-1) and $^{29}SiO$ (J=l-O) toward the Sgr A molecular clouds. The distribution and the velocity structure of SiO are very similar to previous results for 'quiet' interstellar molecules. We think· that the SiO has been well mixed with other molecules such as $H_2$ which may indicate that the formation of Sgr A molecular clouds was affected by the activities, such as shock waves or energetic photons, from the Galactic center in large scales. The total column density of SiO is about $4.1\times10^{14} cm^{-2}$ and the fractional abundance $SiO/H_2$ appears to be about 10 times larger than those of other clouds in the central region of our galaxy. The derived values are thought to be lower limits since the optical depths of the observed SiO lines are not very thin. The formation of SiO has been known to be critically related to shocks, and our results provide informative data on the environment of our Galactic center.

• ALGAE
• /
• 제30권1호
• /
• pp.15-33
• /
• 2015

When the generitype Centroceras clavulatum, a presumed cosmopolitan warm temperate to tropical red alga, was discovered to have a biogeographic distribution limited to the Pacific Ocean using molecular and morphological evidence, the taxonomy in the genus Centroceras was thrown into chaos worldwide. An analysis of what species was, or were, previously identified as C. clavulatum in Bermuda is the focus of the present molecular (COI-5P, rbcL) and morphological study. Two novel species are proposed, C. arcii sp. nov. and C. illaqueans sp. nov., and the distributions of three taxa recently segregated in the 'C. clavulatum complex' of the western Atlantic, C. gasparrinii, C. hyalacanthum, and C. micracanthum, have been expanded to include Bermuda. C. arcii is shown to be morphologically cryptic with C. micracanthum, and remains best distinguished by its COI-5P barcode sequence.

• Elastomers and Composites
• /
• 제51권3호
• /
• pp.188-194
• /
• 2016

In this study, novel quaternary plastomers consisting of ethylene, 1-hexene, high ${\alpha}$-olefin, and divinylbenzene were prepared using Zr metallocene catalyst, borate type cocatalyst, and tri-isobutylaluminium. The molar ratio changes of 1-hexene and high ${\alpha}$-olefin (1-octene, 1-decene, and 1-dodecene) had an effect on the properties of the quaternary plastomers. The structure of the quaternary plastomers was characterized using $^1H$ NMR. Molecular weight properties, crystallinity, and thermal properties of the plastomers were determined by GPC, WAXS, and DMA, respectively. Compared with the terpolymers prepared in our previous study, molecular weight and molecular weight distribution of the quaternary polymers were very similar, whereas glass transition temperature ($T_g$) was very low. Also, hardness and tensile properties of the quaternary plastomers were measured.

• 한국응용과학기술학회지
• /
• 제30권1호
• /
• pp.9-15
• /
• 2013

A new process for the synthesis of polyphenylcarbosilane (PPCS) via thermal rearrangement of polymethylphenylsilane (PMPS) in supercritical cyclohexane was proposed and investigated at reaction temperatures of $380-420^{\circ}C$, reaction times of 1-2 h, and a pressure of 15 MPa. The structure, molecular weight, and molecular weight distribution of the product were characterized by FT-IR, Si-NMR, and GPC. The ceramic yield was also measured by TGA analysis. High-quality PPCS with high molecular weight and ceramic yield can be synthesized via a supercritical process. Furthermore, this process, when compared to the conventional method, tends to moderate the reaction conditions such as reaction temperature and time. It is concluded that thermal rearrangement in supercritical fluid is an efficient and viable process in terms of the resulting yield, efficiency, and reaction time compared with those of the conventional PCS production process.

• 펄프종이기술
• /
• 제47권5호
• /
• pp.23-32
• /
• 2015

In this study, chemical and physical changes of dissolving pulps which have similar viscosity by dry milling and fractionation were investigated. We used two types of dissolving pulp made from wood and cotton linter fiber, respectively. Dry milling was executed by knife cutter and pulp powders were fractionated by sieve shaker into 4 grades. We analyzed fiber properties, crystallinity index, viscosity, molecular weight of pulp sheet and powders. It was found that poly-dispersity index of cotton linter pulp was smaller than that of wood pulp, meaning that cotton pulp has more narrow molecular weight distribution. It was assumed that these were related to exposure times to chemical treatment which cut cellulose chains not evenly. At least 4 times of chemical treatments for wood pulp were executed and only two times of chemical treatments for cotton linter pulp were done. After dry milling average molecular weight and crystallinity index of cotton linter pulp powders were reduced and these were related to fines content and shape of pulp powders.